1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide

C14H22IN3 — CID 120969753

IUPAC1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCC(C)c1ccc(CNC2=NCCN2C)cc1.I
InChIInChI=1S/C14H21N3.HI/c1-11(2)13-6-4-12(5-7-13)10-16-14-15-8-9-17(14)3;/h4-7,11H,8-10H2,1-3H3,(H,15,16);1H
InChIKeyUFAQUEKNFRULQQ-UHFFFAOYSA-N
MW359.26 g/mol
LogP2.82
Rot. Bonds3

About 1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide

1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120969753) has the molecular formula C14H22IN3 and a molecular weight of 359.26 g/mol. Its IUPAC name is 1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120969753
Molecular FormulaC14H22IN3
Molecular Weight359.26 g/mol
Exact Mass359.09
IUPAC Name1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCC(C)c1ccc(CNC2=NCCN2C)cc1.I
InChIInChI=1S/C14H21N3.HI/c1-11(2)13-6-4-12(5-7-13)10-16-14-15-8-9-17(14)3;/h4-7,11H,8-10H2,1-3H3,(H,15,16);1H
InChIKeyUFAQUEKNFRULQQ-UHFFFAOYSA-N
XLogP2.82
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120969271
N-[(4-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969673
1-methyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970164
4-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzamide;hydroiodide
CID 120969161
1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine;hydroiodide
CID 166326327
1-methyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydrobromide
CID 166193259
1-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969999
1-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120969584
1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine
CID 166326328
N-[(4-bromo-3-fluorophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970582
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970093
1-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970488

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of 1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120969753) is 1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for 1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for 1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is CC(C)c1ccc(CNC2=NCCN2C)cc1.I.
What is the InChIKey of 1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is UFAQUEKNFRULQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3.HI/c1-11(2)13-6-4-12(5-7-13)10-16-14-15-8-9-17(14)3;/h4-7,11H,8-10H2,1-3H3,(H,15,16);1H.
What are the key properties of 1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 359.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120969753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).